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Journal of Molecular Graphics & Modelling|January 26, 2006
Systematic molecular dynamics searching in a lipid bilayer: application to the glycophorin A and oncogenic ErbB-2 transmembrane domainsAndrew J Beevers, Andreas KukolJournal of Molecular Graphics & Modelling|January 18, 2006
Molecular modeling, docking and ADMET studies applied to the design of a novel hybrid for treatment of Alzheimer's diseaseCarlos H T P da Silva, Vanessa Leiria Campo, Ivone Carvalho, et al.Journal of Molecular Graphics & Modelling|February 7, 2006
Automatic atom type and bond type perception in molecular mechanical calculationsJunmei Wang, Wei Wang, Peter A Kollman, et al.Journal of Molecular Graphics & Modelling|April 11, 2008
Molecular modeling study of CodX reveals importance of N-terminal and C-terminal domain in the CodWX complex structure of Bacillus subtilisNavaneethakrishnan Krishnamoorthy, Poornima Gajendrarao, Soo Hyun Eom, et al.Journal of Molecular Graphics & Modelling|May 6, 2008
Chemical function-based pharmacophore development for novel, selective kappa opioid receptor agonistsNidhi Singh, Tammy L Nolan, Christopher R McCurdyJournal of Molecular Graphics & Modelling|March 29, 2008
3D-QSAR and molecular docking studies of 1,3,5-triazene-2,4-diamine derivatives against r-RNA: novel bacterial translation inhibitorsY Nataraja Sekhar, M Ravi Shashi Nayana, N Sivakumari, et al.Journal of Molecular Graphics & Modelling|March 25, 2008
Nanosecond molecular dynamics simulations of Cdc25B and its complex with a 1,4-naphthoquinone inhibitor: implications for rational inhibitor designSungmin Ko, Woojin Lee, Sangyoub Lee, et al.Journal of Molecular Graphics & Modelling|April 3, 2025
Electronic analysis of 1-ethyl-3-methyl imidazolium halide adsorption on AlN nanoflakesJabir H Al-Fahemi, Kamal A SolimanJournal of Molecular Graphics & Modelling|April 5, 2025
Biomolecular conformational changes and transient druggable binding sites through full-length AMPK molecular dynamics simulationsGuilherme Eduardo Martins Mendes, Artur Rodrigues Maio, Glenda da Silva Rodrigues de Oliveira, et al.Journal of Molecular Graphics & Modelling|April 14, 2025
Drug delivery mechanism of isoniazid drug on Tetragonal aluminum nitride by DFT studyHeba Nawfal Al Araji, Ehab Yassen Theab, Shirin Shomurotova, et al.Pageof 408